2-oxo-1,3-thiazolidine-5-carboxamide

C4H6N2O2S — CID 54033934

IUPAC2-oxo-1,3-thiazolidine-5-carboxamide
SMILESNC(=O)C1CNC(=O)S1
InChIInChI=1S/C4H6N2O2S/c5-3(7)2-1-6-4(8)9-2/h2H,1H2,(H2,5,7)(H,6,8)
InChIKeyLHOZRMGGAKBQDC-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.70
Rot. Bonds1

About 2-oxo-1,3-thiazolidine-5-carboxamide

2-oxo-1,3-thiazolidine-5-carboxamide (PubChem CID 54033934) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is 2-oxo-1,3-thiazolidine-5-carboxamide.

Molecular Properties

Compound Name2-oxo-1,3-thiazolidine-5-carboxamide
PubChem CID54033934
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name2-oxo-1,3-thiazolidine-5-carboxamide
SMILESNC(=O)C1CNC(=O)S1
InChIInChI=1S/C4H6N2O2S/c5-3(7)2-1-6-4(8)9-2/h2H,1H2,(H2,5,7)(H,6,8)
InChIKeyLHOZRMGGAKBQDC-UHFFFAOYSA-N
XLogP-0.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-thiazolidine-5-carboxamide?
The IUPAC name of 2-oxo-1,3-thiazolidine-5-carboxamide (CID 54033934) is 2-oxo-1,3-thiazolidine-5-carboxamide.
What is the SMILES notation for 2-oxo-1,3-thiazolidine-5-carboxamide?
The canonical SMILES for 2-oxo-1,3-thiazolidine-5-carboxamide is NC(=O)C1CNC(=O)S1.
What is the InChIKey of 2-oxo-1,3-thiazolidine-5-carboxamide?
The InChIKey is LHOZRMGGAKBQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c5-3(7)2-1-6-4(8)9-2/h2H,1H2,(H2,5,7)(H,6,8).
What are the key properties of 2-oxo-1,3-thiazolidine-5-carboxamide?
2-oxo-1,3-thiazolidine-5-carboxamide has a molecular weight of 146.17 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-thiazolidine-5-carboxamide is sourced from PubChem (CID 54033934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).